Table 1 Overview of simulations and K+ conductance:

From: Subunit gating resulting from individual protonation events in Kir2 channels

 

Qcav −8

Qcav −6

Qcav −4

Control

Residue protonation

D173 charge

−4 (-|-|-|-)

−3 (H | -|-|-)

−2 (- | H | - | H)

−2 (- | H | - | H)

G178D charge

−4 (-|-|-|-)

−3 (- | - | H | -)

−2 (H | - | H | -)

0 (G | G | G | G)

SF conduction events / 1 µs

md1

14

14

0

1

md2

12

7

1

2

md3

12

11

2

2

Avg.

12.7

10.7

1.0

1.7

  1. The protonation of ionizable residues in the central cavity and the number of conduction events per µs are shown for each simulation system. Thereby, individual residues of the protein homotetramer can be protonated (H), deprotonated (-), or WT G178 (G). For each system, three 1 µs runs were simulated (md1-3). Conduction events were counted when a K+ ion left the SF S1 site into the extracellular solvent.
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